2-bromo-N-[3-(2-phenoxyethoxy)phenyl]acetamide

2-bromo-N-[3-(2-phenoxyethoxy)phenyl]acetamide

CAS: 1138442-39-3

Formula: C16H16BrNO3

SMILES: BrCC(=O)NC1=CC(OCCOC2=CC=CC=C2)=CC=C1

IUPAC: 2-bromo-N-[3-(2-phenoxyethoxy)phenyl]acetamide

InChI: InChI=1S/C16H16BrNO3/c17-12-16(19)18-13-5-4-8-15(11-13)21-10-9-20-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,18,19)

Composition: C (54.87%), H (4.61%), Br (22.82%), N (4.00%), O (13.71%)

Molar Mass: 350.212

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	349.031356
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CKCHTVXFKHSMIV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.67
Topological Polar Surface Area	47.56
Polarizability	32.52
Ring Count	2
Rotatable Bond Count	7

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